3-クロロ-4-フルオロフェニル酢酸

2-(3-Chloro-4-fluorophenyl)acetic acid

HCID 2773721CAS 705-79-3

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C(O)Cc1ccc(F)c(Cl)c1
InChIKey: WGODGMOMOMNTRN-UHFFFAOYSA-N
分子式: C8H6ClFO2
平均分子量: 188.58 g/mol
単同位体質量: 188.0040353

名称と識別子

優先名称: 2-(3-Chloro-4-fluorophenyl)acetic acid
IUPAC: 2-(3-chloro-4-fluorophenyl)acetic acid
現地名: 3-クロロ-4-フルオロフェニル酢酸
英語名: 3-CHLORO-4-FLUOROPHENYLACETIC ACID
分子式: C8H6ClFO2
分子量: 188.58

名称と別名

2-(3-chloro-4-fluorophenyl)acetic acidRefChem:455332642-513-83-Chloro-4-fluorophenylacetic acid705-79-3MFCD01631555(3-chloro-4-fluorophenyl)acetic acidSCHEMBL869116DTXSID90378669AKOS005257944CS-W016774AC-9781

名称をさらに表示

3-クロロ-4-フルオロフェニル酢酸3-Chloro-4-fluorobenzeneacetic acidRARECHEM AL BO 0953Acid 3-chloro-4-fluoro3-Chloro-4-fluorphenylaceticacidBenzeneacetic acid, 3-chloro-4-fluoro-3-Chloro-4-fluorophenylacetic acid 99%3-CHLORO-4-FLUOROPHENYLACETIC ACID ISO 9001：2015 REACH(3-Chloro-4-fluorophenyl)acetic acid, 2-(3-Chloro-4-fluorophenyl)ethanoic acid

DS-0694PB47622PS-8435SY0192123-Chloro-4-fluorobenzeneacetic Acid; 2-(3-Chloro-4-fluorophenyl)acetic Acid;2-(3-chloro-4-fluoro-phenyl)acetic AcidSBB064032DB-030912

データベース識別子

CAS: 705-79-3
PubChem CID: 2773721
DTXSID: DTXSID90378669
EC Number: 642-513-8

物性

構造計算による物性

XLogP: 2
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 174

物理化学的性質

融点: 55 · 55-58°C
沸点: 302 · 302.0±27.0 °C(Predicted)
比重(密度): 1.417 · 1.417±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: クロロホルム、DMSO（微量）、メタノール（微量）
外見: 個体
酸解離定数(Pka): 4.09 · 4.09±0.10(Predicted)
色: オフホワイト
CAS データベース: 705 · 705-79-3(CAS DataBase Reference)

化学的性質

化学的特性Class white powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

hs_code: 2918290090
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39
hazard_class: IRRITANT

化学と産業

応用分野

使用3-Chloro-4-fluorophenylacetic Acid is a useful intermediate for organic synthesis.

上流・下流製品情報

上流原料

サプライヤー50 社

南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]

常州帝通化工有限公司+86-0519-88298848 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]